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| CAS No.: | 88-95-9 |
|---|---|
| Name: | Phthaloyl dichloride |
| Article Data: | 49 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4Cl2O2 |
| Molecular Weight: | 203.025 |
| Synonyms: | Phthaloylchloride (6CI,8CI);1,2-Bis(chlorocarbonyl)benzene;NSC 44611;Phthalic aciddichloride;Phthalyl chloride;Phthalyl dichloride;o-Phthalic acid dichloride;Phthaloyl chloride; |
| EINECS: | 201-869-0 |
| Density: | 1.427 g/cm3 |
| Melting Point: | 6-12 °C(lit.) |
| Boiling Point: | 281.7 °C at 760 mmHg |
| Flash Point: | 135.4 °C |
| Solubility: | decomposes with water |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 34.14000 |
| LogP: | 2.44460 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
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| Conditions | Yield |
|---|---|
| With phosgene; N,N-dibutylformamide In toluene at 70℃; for 7.5h; Product distribution / selectivity; | 97.8% |
| With phosgene; N-methyl-N-stearylformamide In toluene at 75℃; for 7.5h; Product distribution / selectivity; | 95% |
| With phosgene; N,N-dibutylformamide In toluene at 70℃; for 8h; Product distribution / selectivity; | 91% |
- 85-44-9
phthalic anhydride
- 5216-25-1
4-chlorotrichloromethylbenzene
A
- 122-01-0
4-chloro-benzoyl chloride
B
- 88-95-9
Phthaloyl dichloride
| Conditions | Yield |
|---|---|
| zirconium(IV) chloride at 160℃; for 6h; | A 93% B 70% |
| Conditions | Yield |
|---|---|
| With phosgene; N,N-dibutylformamide In toluene at 70℃; for 7.5h; Product distribution / selectivity; | A 0.9 %Chromat. B 89.3% |
| Conditions | Yield |
|---|---|
| Stage #1: o-xylene With ruthenium(II) chloride; C88H48Cl8Fe2N8O; oxygen at 185℃; under 10501.1 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure; | A 63.1% B 10.1% |
| Stage #1: o-xylene With ruthenium(II) chloride; C88H48Cl8Fe2N8O; oxygen at 185℃; under 10501.1 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure; | A 24.1% B 38.7% |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 220 - 300℃; |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 220 - 300℃; |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 220 - 300℃; |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 110 - 200℃; |
| Conditions | Yield |
|---|---|
| at 130℃; Kinetik der Umwandlung; | |
| durch Destillation; | |
| at 100℃; | |
| With hydrogenchloride | |
| at 130℃; |
- 13699-68-8
3-thioxo-3H-isobenzofuran-1-one
- 88-95-9
Phthaloyl dichloride
| Conditions | Yield |
|---|---|
| With chlorine at 245℃; |
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Specification
The Phthaloyl chloride with cas registry number of 88-95-9 belongs to the classes of acid chlorides. Its EINECS registry number is 201-869-0. Its systematic name and IUPAC name are the same which is called benzene-1,2-dicarbonyl chloride. With appearance of clear yellow liquid, this chemical is also known as 1,2-Benzenedicarbonyl dichloride; o-Phthaloyl chloride.
Physical properties about this chemical are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.58; (6)ACD/BCF (pH 7.4): 10.58; (7)ACD/KOC (pH 5.5): 188.35; (8)ACD/KOC (pH 7.4): 188.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 46.74 cm3; (15)Molar Volume: 142.2 cm3; (16)Surface Tension: 48.2 dyne/cm; (17)Density: 1.427 g/cm3; (18)Flash Point: 135.4 °C; (19)Enthalpy of Vaporization: 52.05 kJ/mol; (20)Boiling Point: 281.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00351 mmHg at 25°C; (22)Refractive index: n20/D 1.568(lit.).
When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to moisture. It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately (show the label whenever possible.). So you'd better wear suitable protective clothing, gloves and eye/face protection when you are using it.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1ccccc1C(Cl)=O;
(2)InChI: InChI=1/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H;
(3)InChIKey: FYXKZNLBZKRYSS-UHFFFAOYAB